dimethyl (3S,6R)-6-ethenyl-2-(2-iodanylphenyl)-3-thiophen-2-yl-1,2-oxazinane-4,4-dicarboxylate

Systemtic Name: dimethyl (3S,6R)-6-ethenyl-2-(2-iodanylphenyl)-3-thiophen-2-yl-1,2-oxazinane-4,4-dicarboxylate Openeye Name: dimethyl (3S,6R)-2-(2-iodophenyl)-3-(2-thienyl)-6-vinyl-oxazinane-4,4-dicarboxylate CAS Name: (3S,6R)-6-ethenyl-2-(2-iodophenyl)-3-thiophen-2-yloxazinane-4,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,6R)-6-ethenyl-2-(2-iodophenyl)-3-thiophen-2-yloxazinane-4,4-dicarboxylate Traditional Name: (3S,6R)-2-(2-iodophenyl)-3-(2-thienyl)-6-vinyl-oxazinane-4,4-dicarboxylic acid dimethyl ester Formula: C20H20INO5S MolecularWeight: 513.34597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(ON(C1C2=CC=CS2)C3=CC=CC=C3I)C=C)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H](ON([C@@H]1C2=CC=CS2)C3=CC=CC=C3I)C=C)C(=O)OC

InChI

InChI=1S/C20H20INO5S/c1-4-13-12-20(18(23)25-2,19(24)26-3)17(16-10-7-11-28-16)22(27-13)15-9-6-5-8-14(15)21/h4-11,13,17H,1,12H2,2-3H3/t13-,17+/m0/s1